3-amino-5-chloro-3-(2-ethoxy-3-pyridinyl)-1H-indol-2-one

C15H14ClN3O2 — CID 67087991

IUPAC3-amino-5-chloro-3-(2-ethoxy-3-pyridinyl)-1H-indol-2-one
SMILESCCOc1ncccc1C1(N)C(=O)Nc2ccc(Cl)cc21
InChIInChI=1S/C15H14ClN3O2/c1-2-21-13-10(4-3-7-18-13)15(17)11-8-9(16)5-6-12(11)19-14(15)20/h3-8H,2,17H2,1H3,(H,19,20)
InChIKeyMFWOUZLDNGVAID-UHFFFAOYSA-N
MW303.75 g/mol
LogP2.29
Rot. Bonds3

About 3-amino-5-chloro-3-(2-ethoxy-3-pyridinyl)-1H-indol-2-one

3-amino-5-chloro-3-(2-ethoxy-3-pyridinyl)-1H-indol-2-one (PubChem CID 67087991) has the molecular formula C15H14ClN3O2 and a molecular weight of 303.75 g/mol. Its IUPAC name is 3-amino-5-chloro-3-(2-ethoxy-3-pyridinyl)-1H-indol-2-one.

Molecular Properties

Compound Name3-amino-5-chloro-3-(2-ethoxy-3-pyridinyl)-1H-indol-2-one
PubChem CID67087991
Molecular FormulaC15H14ClN3O2
Molecular Weight303.75 g/mol
Exact Mass303.08
IUPAC Name3-amino-5-chloro-3-(2-ethoxy-3-pyridinyl)-1H-indol-2-one
SMILESCCOc1ncccc1C1(N)C(=O)Nc2ccc(Cl)cc21
InChIInChI=1S/C15H14ClN3O2/c1-2-21-13-10(4-3-7-18-13)15(17)11-8-9(16)5-6-12(11)19-14(15)20/h3-8H,2,17H2,1H3,(H,19,20)
InChIKeyMFWOUZLDNGVAID-UHFFFAOYSA-N
XLogP2.29
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.75
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-5-chloro-3-(2-ethoxy-3-pyridinyl)-1H-indol-2-one?
The IUPAC name of 3-amino-5-chloro-3-(2-ethoxy-3-pyridinyl)-1H-indol-2-one (CID 67087991) is 3-amino-5-chloro-3-(2-ethoxy-3-pyridinyl)-1H-indol-2-one.
What is the SMILES notation for 3-amino-5-chloro-3-(2-ethoxy-3-pyridinyl)-1H-indol-2-one?
The canonical SMILES for 3-amino-5-chloro-3-(2-ethoxy-3-pyridinyl)-1H-indol-2-one is CCOc1ncccc1C1(N)C(=O)Nc2ccc(Cl)cc21.
What is the InChIKey of 3-amino-5-chloro-3-(2-ethoxy-3-pyridinyl)-1H-indol-2-one?
The InChIKey is MFWOUZLDNGVAID-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN3O2/c1-2-21-13-10(4-3-7-18-13)15(17)11-8-9(16)5-6-12(11)19-14(15)20/h3-8H,2,17H2,1H3,(H,19,20).
What are the key properties of 3-amino-5-chloro-3-(2-ethoxy-3-pyridinyl)-1H-indol-2-one?
3-amino-5-chloro-3-(2-ethoxy-3-pyridinyl)-1H-indol-2-one has a molecular weight of 303.75 g/mol, XLogP of 2.29, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-chloro-3-(2-ethoxy-3-pyridinyl)-1H-indol-2-one is sourced from PubChem (CID 67087991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).